论文标题
ZRSISE的频带结构和Dirac节点线形态的应变影响
Strain Effects on Band Structure and Dirac Nodal-line Morphology of ZrSiSe
论文作者
论文摘要
Dirac Nodal-Line半学(DNL)是由于其外来特性而用于技术应用的新材料,该材料源自带结构的分散和节点线行为。我们报告了ZRSISE DNL中菌株几种可能性对频带结构分散和节点线行为的影响的研究。我们发现,Zrsise的Dirac节点线对所有应变都具有合理的巨大应变。虽然,相对于费米能量,间隙,振幅和能量存在显着变化。我们还发现有效菌株调整节点线,带状结构是等应轴拉伸,单轴(100)拉伸和单轴(110)拉伸应变。
The Dirac nodal-line semimetals (DNLS) are new promising materials for technological applications due to its exotic properties, which originate from band structures dispersion and nodal-line behavior. We report a study on effects of several possibilities of strains in ZrSiSe DNLS on band structure dispersion and nodal-line behavior through the means of the density functional theory (DFT) calculations. We found that the Dirac nodal-line of ZrSiSe is robust to all strain with reasonable magnitude. Although, there are significant changes in gap, amplitude, and energy relative to Fermi energy. We also found the effective strains to tune the nodal-line and band structures are equi-biaxial tensile, uniaxial (100) tensile, and uniaxial (110) tensile strain.